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8-hydroxylinalool | 64142-78-5

中文名称
——
中文别名
——
英文名称
8-hydroxylinalool
英文别名
(E)-8-hydroxylinalool;trans-8-Hydroxylinalool;(2E)-2,6-dimethylocta-2,7-diene-1,6-diol
8-hydroxylinalool化学式
CAS
64142-78-5
化学式
C10H18O2
mdl
——
分子量
170.252
InChiKey
NSMIMJYEKVSYMT-RMKNXTFCSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    289.5±28.0 °C(Predicted)
  • 密度:
    0.960±0.06 g/cm3(Predicted)
  • LogP:
    1.095 (est)
  • 保留指数:
    1367.4;1355;1336;1366;1345;1338;1333;1333;1339;1342;1333;1367

计算性质

  • 辛醇/水分配系数(LogP):
    1.5
  • 重原子数:
    12
  • 可旋转键数:
    5
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.6
  • 拓扑面积:
    40.5
  • 氢给体数:
    2
  • 氢受体数:
    2

SDS

SDS:0a922eeaab4983c49e9a695050f73738
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    Tschesche,R. et al., Chemische Berichte, 1977, vol. 110, p. 3111 - 3117
    摘要:
    DOI:
  • 作为产物:
    描述:
    4-氯-2-甲基-巴豆醛sodium hydroxide 、 sodium tetrahydroborate 、 sodium methylate草酸对甲苯磺酸magnesium 作用下, 以 乙醇环己烷丙酮 为溶剂, 反应 4.5h, 生成 8-hydroxylinalool
    参考文献:
    名称:
    Narcissus trevithian and Narcissus geranium: Analysis and synthesis of compounds
    摘要:
    The essential oils of two narcissus varieties, Narcissus trevithian and Narcissus geranium, obtained by extraction of flowers followed by high vacuum distillation of the absolute, were analyzed by GC/MS. After separation in fractions, unknown compounds were isolated by preparative GLC and their structures established by NMR/IR spectroscopy. The synthesis of a number of new compounds, found for the first time in narcissus oil, is described. The two narcissus species are compared with respect to their main components and odor quality. All compounds found so far in narcissus varieties are listed.
    DOI:
    10.1021/jf00035a047
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文献信息

  • Regiospecific hydroxylation of acyclic monoterpene alcohols by aspergillus niger
    作者:K.Madhava Madyastha、N.S.R.Krishna Murthy
    DOI:10.1016/s0040-4039(00)80155-0
    日期:——
    Aspergillus niger was shown to carry out the regiospecific hydroxylation of acyclic monoterpene alcohols.
    显示黑曲霉进行无环单萜醇的区域特异性羟基化。
  • Concentrated, stable, translucent or clear, fabric softening compositions including chelants
    申请人:Wahl Hoffman Errol
    公开号:US20050202998A1
    公开(公告)日:2005-09-15
    Clear or translucent fabric softening compositions having a biodegradable fabric softening active and an added chelating agent are disclosed. The biodegradable fabric softening active preferably has the formula: wherein each R substituent is hydrogen or a short chain C 1 -C 6 , preferably C 1 -C 3 alkyl or hydroxyalkyl group, e.g., methyl (most preferred), ethyl, propyl, hydroxyethyl, and the like, benzyl, or mixtures thereof; each m is 2 or 3; each n is from 1 to about 4, preferably 2; each Y is —O—(O)C—, —(R)N—(O)C—, —C(O)—N(R)—, or —C(O)—O—, preferably —O—(O)C—; the sum of carbons in each R 1 , plus one when Y is —O—(O)C— or —(R)N—(O)—, is C 6 -C 22 , preferably C 12-22 , more preferably C 14 -C 20 , but no more than one R 1 or YR 1 sum being less than about 12 and then the other R 1 or YR 1 sum is at least about 16, with each R 1 being a long chain C 5 -C 21 (or C 6 -C 22 ), preferably C 9 -C 19 (or C 9 -C 20 ), most preferably C 11 -C 17 (or C 12 -C 18 ), straight, branched, unsaturated or polyunsatruated alkyl, the average Iodine Value of the parent fatty acid of the R 1 being from about 20 to about 140. The chelating agent is preferably diaminetriaminepentaacetic acid. The compositions display excellant clarity with a percentage haze in the transmission mode of a Hunter Color analysis of less than 90%, preferably less than 50%.
    本文揭示了具有可生物降解织物柔软活性剂和添加螯合剂的透明或半透明织物柔软组合物。可生物降解织物柔软活性剂优选具有以下公式: 其中,每个R取代基是氢或短链C1-C6,优选是C1-C3烷基或羟基烷基,例如,甲基(最优选),乙基,丙基,羟乙基等,苯甲基或其混合物;每个m为2或3;每个n为1至约4,优选为2;每个Y为—O—(O)C—,—(R)N—(O)C—,—C(O)—N(R)—或—C(O)—O—,优选为—O—(O)C—;当Y为—O—(O)C—或—(R)N—(O)—时,每个R1中碳的总数加一为C6-C22,优选为C12-22,更优选为C14-C20,但不超过一个R1或YR1总和小于约12,然后另一个R1或YR1总和至少约为16,每个R1为长链C5-C21(或C6-C22),优选为C9-C19(或C9-C20),最优选为C11-C17(或C12-C18),直链、支链、不饱和或多不饱和烷基,R1的父脂肪酸的平均碘值约为20至约140。螯合剂优选为二氨基三乙酸五钠盐。该组合物在Hunter Color分析的透射模式下具有出色的清晰度,其百分之雾度小于90%,优选小于50%。
  • Concentrated, stable, preferably clear, fabric softening composition
    申请人:Trinh Toan
    公开号:US20060058216A1
    公开(公告)日:2006-03-16
    Principal solvents, especially mono-ol and diol principal solvents, having a ClogP of from about 0.15 to about 0.64, preferably from about 0.25 to about 0.62, and more preferably from about 0.40 to about 0.60, are disclosed that have the ability to make clear aqueous fabric softener compositions containing relatively high concentrations of fabric softener actives having ester linkages in their long, hydrophobic chains. The fabric softener actives are either unsaturated, or have intermediate length chains (˜C 12-14 ) and the said principal solvents are used at levels of less than about 40%. Other solvents may be present. Some of the said principal solvents are novel compounds and/or novel mixtures. Premixes of the fabric softening actives, the principal solvents, and, optionally, other solvents are useful in the preparation of complete formulations by obviating/limiting the need for heating.
    本发明揭示了主要溶剂,特别是具有ClogP约为0.15至约0.64,优选为约0.25至约0.62,更优选为约0.40至约0.60的单醇和双醇主要溶剂,具有制备含有长链疏水基中酯键的相对高浓度织物柔顺剂活性成分的清澈水性织物柔顺剂组合物的能力。织物柔顺剂活性成分可以是不饱和的,也可以具有中等长度的链(约C12-14),所述主要溶剂的使用水平小于约40%。其他溶剂可以存在。其中一些主要溶剂是新化合物和/或新混合物。织物柔顺剂活性成分、主要溶剂和可选的其他溶剂的预混物在制备完整配方时是有用的,因为它们可以避免/限制加热的需要。
  • Concentrated, stable fabric softening composition
    申请人:——
    公开号:US20030153483A1
    公开(公告)日:2003-08-14
    Principal solvents, especially mono-ol and diol principal solvents, having a ClogP of from about 0.15 to about 0.64, preferably from about 0.25 to about 0.62, and more preferably from about 0.40 to about 0.60, are disclosed that have the ability to make clear aqueous fabric softener compositions containing relatively high concentrations of fabric softener actives having ester linkages in their long, hydrophobic chains. The fabric softener actives are either unsaturated, or have intermediate length chains (˜C 12-14 ) and the said principal solvents are used at levels of less than about 40%. Other solvents may be present. Some of the said principal solvents are novel compounds and/or novel mixtures. Premixes of the fabric softening actives, the principal solvents, and, optionally, other solvents are useful in the preparation of complete formulations by obviating/limiting the need for heating.
    本发明涉及主要溶剂,特别是具有从约0.15到约0.64的ClogP值的单醇和二醇主要溶剂,优选从约0.25到约0.62,更优选从约0.40到约0.60,具有使含有长的亲水性链中的酯键的织物柔软剂活性成分相对高浓度的清澈水性织物柔软剂组合物的能力。织物柔软剂活性成分可以是不饱和的,也可以具有中等长度的链(约C12-14),所述主要溶剂的使用水平低于约40%。其他溶剂可能也存在。其中一些主要溶剂是新化合物和/或新混合物。织物柔软剂活性成分、主要溶剂和可选的其他溶剂的预混物可用于制备完整配方,从而避免/限制加热的需要。
  • CYTOCHROME P450 AND CYTOCHROME P450 REDUCTASE POLYPEPTIDES, ENCODING NUCLEIC ACID MOLECULES AND USES THEREOF
    申请人:THE UNIVERSITY OF BRITISH COLUMBIA
    公开号:US20160108374A1
    公开(公告)日:2016-04-21
    Provided are cytochrome P450 polypeptides, including cytochrome P450 santalene oxidase polypeptides, cytochrome P450 bergamotene oxidase polypeptides and cytochrome P450 reductase polypeptides. Also provided are nucleic acid molecules encoding the cytochrome P450 polypeptides. Cells containing the nucleic acids and/or the polypeptides are provided as are methods for producing terpenes, such as santalols and bergamotols, by culturing the cells.
    提供了细胞色素P450多肽,包括细胞色素P450沙檀烯氧化酶多肽,细胞色素P450柠檬烯氧化酶多肽和细胞色素P450还原酶多肽。还提供了编码细胞色素P450多肽的核酸分子。提供了含有这些核酸和/或多肽的细胞,以及通过培养这些细胞生产萜烯(如沉香醇和柠檬醇)的方法。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

(5β,6α,8α,10α,13α)-6-羟基-15-氧代黄-9(11),16-二烯-18-油酸 (3S,3aR,8aR)-3,8a-二羟基-5-异丙基-3,8-二甲基-2,3,3a,4,5,8a-六氢-1H-天青-6-酮 (2Z)-2-(羟甲基)丁-2-烯酸乙酯 (2S,4aR,6aR,7R,9S,10aS,10bR)-甲基9-(苯甲酰氧基)-2-(呋喃-3-基)-十二烷基-6a,10b-二甲基-4,10-dioxo-1H-苯并[f]异亚甲基-7-羧酸盐 (+)顺式,反式-脱落酸-d6 龙舌兰皂苷乙酯 龙脑香醇酮 龙脑烯醛 龙脑7-O-[Β-D-呋喃芹菜糖基-(1→6)]-Β-D-吡喃葡萄糖苷 龙牙楤木皂甙VII 龙吉甙元 齿孔醇 齐墩果醛 齐墩果酸苄酯 齐墩果酸甲酯 齐墩果酸乙酯 齐墩果酸3-O-alpha-L-吡喃鼠李糖基(1-3)-beta-D-吡喃木糖基(1-3)-alpha-L-吡喃鼠李糖基(1-2)-alpha-L-阿拉伯糖吡喃糖苷 齐墩果酸 beta-D-葡萄糖酯 齐墩果酸 beta-D-吡喃葡萄糖基酯 齐墩果酸 3-乙酸酯 齐墩果酸 3-O-beta-D-葡吡喃糖基 (1→2)-alpha-L-吡喃阿拉伯糖苷 齐墩果酸 齐墩果-12-烯-3b,6b-二醇 齐墩果-12-烯-3,24-二醇 齐墩果-12-烯-3,21,23-三醇,(3b,4b,21a)-(9CI) 齐墩果-12-烯-3,11-二酮 齐墩果-12-烯-2α,3β,28-三醇 齐墩果-12-烯-29-酸,3,22-二羟基-11-羰基-,g-内酯,(3b,20b,22b)- 齐墩果-12-烯-28-酸,3-[(6-脱氧-4-O-b-D-吡喃木糖基-a-L-吡喃鼠李糖基)氧代]-,(3b)-(9CI) 鼠特灵 鼠尾草酸醌 鼠尾草酸 鼠尾草酚酮 鼠尾草苦内脂 黑蚁素 黑蔓醇酯B 黑蔓醇酯A 黑蔓酮酯D 黑海常春藤皂苷A1 黑檀醇 黑果茜草萜 B 黑五味子酸 黏黴酮 黏帚霉酸 黄黄质 黄钟花醌 黄质醛 黄褐毛忍冬皂苷A 黄蝉花素 黄蝉花定